Geometry & MOs

Info

ID:	296083
PubChem CID:	117555407
Reduced:	BrSN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	225.129969
ΔH_f, kcal/mol:	85.86
Dipole, Da:	3.68
IP(EA), eV:	-9.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-cycloheptyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=NC=C(S2)C#N)Br

DOS

IR

Vibrations